PSK

[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID

Created: 2006-06-06
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count3
Bond Count26
Aromatic Bond Count0
2D diagram of PSK
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Chemical Component Summary

Name[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID
Systematic Name (OpenEye OEToolkits)[(3R,4S)-4-hydroxy-3-methyl-2-oxo-hexyl]phosphinic acid
FormulaC7 H15 O4 P
Molecular Weight194.165
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(C(C(O)CC)C)CP(=O)O
SMILESCACTVS3.341CC[CH](O)[CH](C)C(=O)C[PH](O)=O
SMILESOpenEye OEToolkits1.5.0CCC(C(C)C(=O)CP(=O)O)O
Canonical SMILESCACTVS3.341 CC[C@H](O)[C@@H](C)C(=O)C[P@H](O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O
InChIInChI1.03 InChI=1S/C7H15O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyInChI1.03 UXHVQAJQXZWLAW-RITPCOANSA-N

Drug Info: DrugBank

DrugBank IDDB08431 
Name[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID
Groups experimental
Synonyms[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Type I polyketide synthase PikAIVMTSSNEQLVDALRASLKENEELRKESRRRADRRQEPMAIVGMSCRFAGGI...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 46937150